(2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid

C30H24F3NO4 — CID 118722738

IUPAC(2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid
SMILESO=C(N[C@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1)C(=O)O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C30H24F3NO4/c31-30(32,33)24-10-6-9-23(18-24)22-15-13-20(14-16-22)17-26(29(36)37)34-28(35)25-11-4-5-12-27(25)38-19-21-7-2-1-3-8-21/h1-16,18,26H,17,19H2,(H,34,35)(H,36,37)/t26-/m1/s1
InChIKeyDHBDEJPQMVGTSZ-AREMUKBSSA-N
MW519.52 g/mol
LogP6.38
Rot. Bonds9

About (2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid

(2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid (PubChem CID 118722738) has the molecular formula C30H24F3NO4 and a molecular weight of 519.52 g/mol. Its IUPAC name is (2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid
PubChem CID118722738
Molecular FormulaC30H24F3NO4
Molecular Weight519.52 g/mol
Exact Mass519.17
IUPAC Name(2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid
SMILESO=C(N[C@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1)C(=O)O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C30H24F3NO4/c31-30(32,33)24-10-6-9-23(18-24)22-15-13-20(14-16-22)17-26(29(36)37)34-28(35)25-11-4-5-12-27(25)38-19-21-7-2-1-3-8-21/h1-16,18,26H,17,19H2,(H,34,35)(H,36,37)/t26-/m1/s1
InChIKeyDHBDEJPQMVGTSZ-AREMUKBSSA-N
XLogP6.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.52
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-phenylphenyl)-2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 58718027
(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 9437907
(2S)-2-[[4-[3,5-bis(trifluoromethyl)phenyl]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58717566
2-[[2-[benzoyl(2-methylpropyl)amino]-5-[3-(trifluoromethyl)phenyl]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 90690590
2-[[(2S)-2-[[5-(3-chloro-4-fluorophenyl)-2-hydroxybenzoyl]amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 69208114
methyl (2S)-3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-[[2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzoyl]amino]propanoate
CID 58717817
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
(2S)-3-[4-(4-phenoxyphenyl)phenyl]-2-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 58718059
(2S)-3-phenyl-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetyl]amino]propanoic acid
CID 119366611
(2S)-2-[[5-chloro-2-[3-(trifluoromethyl)anilino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid
CID 58717507
2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110077557
2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid
CID 58677474

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid?
The IUPAC name of (2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid (CID 118722738) is (2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid?
The canonical SMILES for (2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid is O=C(N[C@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1)C(=O)O)c1ccccc1OCc1ccccc1.
What is the InChIKey of (2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid?
The InChIKey is DHBDEJPQMVGTSZ-AREMUKBSSA-N. The full InChI is InChI=1S/C30H24F3NO4/c31-30(32,33)24-10-6-9-23(18-24)22-15-13-20(14-16-22)17-26(29(36)37)34-28(35)25-11-4-5-12-27(25)38-19-21-7-2-1-3-8-21/h1-16,18,26H,17,19H2,(H,34,35)(H,36,37)/t26-/m1/s1.
What are the key properties of (2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid?
(2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid has a molecular weight of 519.52 g/mol, XLogP of 6.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid is sourced from PubChem (CID 118722738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).